1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol

C10H18O2S — CID 116504683

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol
SMILESCCSCCC(O)C1=COCCC1
InChIInChI=1S/C10H18O2S/c1-2-13-7-5-10(11)9-4-3-6-12-8-9/h8,10-11H,2-7H2,1H3
InChIKeyQVTCTBJWFVWEOD-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.18
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol

1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol (PubChem CID 116504683) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol
PubChem CID116504683
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol
SMILESCCSCCC(O)C1=COCCC1
InChIInChI=1S/C10H18O2S/c1-2-13-7-5-10(11)9-4-3-6-12-8-9/h8,10-11H,2-7H2,1H3
InChIKeyQVTCTBJWFVWEOD-UHFFFAOYSA-N
XLogP2.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohepten-1-yl)-3-ethylsulfanylpropan-1-ol
CID 106651633
[1-(3,4-dihydro-2H-pyran-5-yl)-2-methylsulfanylethyl]hydrazine
CID 105213767
3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanol
CID 115831607
1-(3,4-dihydro-2H-pyran-5-yl)heptylhydrazine
CID 105333276
3-ethylsulfanyl-1-phenylpropan-1-ol
CID 12525073
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine
CID 105033323
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol
CID 164659731
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine
CID 105033094
[1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxypropyl]hydrazine
CID 105222718
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine
CID 116660937
3,4-dihydro-2H-pyran-5-yl-(5-methylpyrazin-2-yl)methanol
CID 105124479
1-(2,3-dihydrofuran-4-yl)-2-methylsulfonylethanol
CID 130580033

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol (CID 116504683) is 1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol is CCSCCC(O)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol?
The InChIKey is QVTCTBJWFVWEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-2-13-7-5-10(11)9-4-3-6-12-8-9/h8,10-11H,2-7H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol?
1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol has a molecular weight of 202.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol is sourced from PubChem (CID 116504683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).